8014-2190 Screening compound: 1-[(furan-2-yl)methyl]-2,3-dimethylpiperidin-4-one

8014-2190 Screening compound: 1-[(furan-2-yl)methyl]-2,3-dimethylpiperidin-4-one
8014-2190 Screening compound: 1-[(furan-2-yl)methyl]-2,3-dimethylpiperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2190
1-[(furan-2-yl)methyl]-2,3-dimethylpiperidin-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8014-2190

Molecular Formula

C12H17NO2 (C12 H17 NO2)

Compound Name

1-[(furan-2-yl)methyl]-2,3-dimethylpiperidin-4-one

IUPAC name

1-[(furan-2-yl)methyl]-23-dimethylpiperidin-4-one

SMILES

CC(C(C)N(Cc1ccco1)CC1)C1=O

InChI

InChI=1S/C12H17NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3

InChI Key

JTDIADXWGUFCRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768191

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

207.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.767

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-1.95

Polar Surface Area

24.242

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.30

8014-2190 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8014-2190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2190?
Check Price and Availability of 8014-2190, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-2190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2190
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8014-2190 available by request